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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H16N6O4
Molecular Weight 312.3095
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NECA H3

SMILES

[3H]C1=NC2=C(N)N=C([3H])N=C2N1[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC

InChI

InChIKey=JADDQZYHOWSFJD-QKXSMRAISA-N
InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1/i3T,4T

HIDE SMILES / InChI

Molecular Formula C12H16N6O4
Molecular Weight 312.3095
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:19:13 GMT 2023
Edited
by admin
on Sat Dec 16 20:19:13 GMT 2023
Record UNII
8GG6N4T6DD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NECA H3
Common Name English
[3H]NECA
Common Name English
β-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl-2,8-t2)-1-deoxy-N-ethyl-
Common Name English
Ethylcarboxamidoadenosine, 5'-N-[Adenine-2,8-3H]-,
Common Name English
3H-Neca
Common Name English
Code System Code Type Description
CAS
151362-68-4
Created by admin on Sat Dec 16 20:19:14 GMT 2023 , Edited by admin on Sat Dec 16 20:19:14 GMT 2023
PRIMARY
FDA UNII
8GG6N4T6DD
Created by admin on Sat Dec 16 20:19:14 GMT 2023 , Edited by admin on Sat Dec 16 20:19:14 GMT 2023
PRIMARY
PUBCHEM
131874103
Created by admin on Sat Dec 16 20:19:14 GMT 2023 , Edited by admin on Sat Dec 16 20:19:14 GMT 2023
PRIMARY
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